Vanadium-Containing Chloroperoxidase-Catalyzed Versatile Valorization of Phenols and Phenolic Acids

The downstream product transformation of lignin depolymerization is of great interest in the production of high-value aromatic chemicals. However, this transformation is often impeded by chemical oxidation under harsh reaction conditions. In this study, we demonstrate that hypohalites generated in situ by the vanadium-containing...

Bio-inspired combinable self-powered soft device operating during the disintegration and reconstruction for next-generation artificial electric organs

Hydrogel materials have biocompatibility, flexibility, transparency, self-healing ability, adhesion with various substrates, anti-freeze ability, and high-temperature resistance. However, the existing hydrogel devices cannot continue to operate in the case of damage, and they cannot work during the repair period, which brings great challenges...

Coupling model of electromigration and experimental verification – Part I: Effect of atomic concentration gradient

This paper presented integrated electromigration (EM) studies through experiment, theory, and simulation. First, extensive EM tests were performed using Blech and standard wafer-level electromigration acceleration test (SWEAT)-like structures, which were fabricated on four-inch wafers. Second, a molecular dynamics (MD) simulation-based...

Coupling model of electromigration and experimental verification – Part II: Impact of thermomigration

This paper presented a comprehensive experimental and simulation study for thermomigration (TM) accompanying electromigration (EM) at elevated current densities. Both Blech and standard wafer-level electromigration acceleration test (SWEAT)-like test structures, with aluminum (Al) as a carrier, were used for testing and analysis. In Part I of...

Effects of temperature and grain size on diffusivity of aluminium: electromigration experiment and molecular dynamic simulation

Understanding the atomic diffusion features in metallic material is significant to explain the diffusion-controlled physical processes. In this paper, using electromigration experiments and molecular dynamic (MD) simulations, we investigate the effects of grain size and temperature on the self-diffusion of polycrystalline aluminium (Al). The...

The effect of riboflavin on the microbiologically influenced corrosion of pure iron by Shewanella oneidensis MR-1

The microbiologically influenced corrosion of pure iron was investigated in the presence of Shewanella oneidensis MR-1 with various levels of exogenous riboflavin (RF) serving as electron shuttles for extracellular electron transfer (EET). With more RF available, a larger and denser phosphate layer was formed on the surface of pure iron by...

Sulfur-Rich Ageing Mechanism of Silicone Encapsulant Used in LED Packaging: An Experimental and Molecular Dynamic Simulation Study

In a light-emitting diode (LED) package, silicone encapsulant serves as a chip protector and enables the light to transmit, since it exhibits the advantages of high light transmittance, high refractive index, and high thermal stability. However, its reliability is still challenged under harsh operation conditions. In this study, the optical...

Directed evolution of phosphite dehydrogenase to cycle noncanonical redox cofactors via universal growth selection platform

Noncanonical redox cofactors are attractive low-cost alternatives to nicotinamide adenine dinucleotide (phosphate) (NAD(P)⁺) in biotransformation. However, engineering enzymes to utilize them is challenging. Here, we present a high-throughput directed evolution platform which couples cell growth to the in vivo cycling of a...

Chemoenzymatic Hunsdiecker-Type Decarboxylative Bromination of Cinnamic Acids

In this contribution, we report chemoenzymatic bromodecarboxylation (Hunsdiecker-type) of α,ß-unsaturated carboxylic acids. The extraordinarily robust chloroperoxidase from Curvularia inaequalis (CiVCPO) generated hypobromite from H2O2 and bromide, which then spontaneously reacted with a broad range of unsaturated carboxylic acids and yielded...

Strain-engineered S-HfSe₂ monolayer as a promising gas sensor for detecting NH₃: A first-principles study

The development of high-performance gas sensing materials is one of the development trends of new gas sensor technology. In this work, in order to predict the gas-sensitive characteristics of HfSe₂ and its potential as a gas-sensitive material, the interactions of nonmetallic element (O, S, Te) doped HfSe₂ monolayer and...

Adaptive bidirectional extracellular electron transfer during accelerated microbiologically influenced corrosion of stainless steel

Microbiologically influenced corrosion of metals is prevalent in both natural and industrial environments, causing enormous structural damage and economic loss. Exactly how microbes influence corrosion remains controversial. Here, we show that the pitting corrosion of stainless steel is accelerated in the presence of Shewanella oneidensis MR...

Effects of Defect and Temperature on the Mechanical Performance of WS₂: A Multiscale Analysis

This paper analyzes the mechanical properties of tungsten disulfide (WS2) by means of multiscale simulation, including density functional theory (DFT), molecular dynamic (MD) analysis, and finite element analysis (FEA). We first conducted MD analysis to calculate the mechanical properties (i.e., Young's modulus and critical stress) of WS2....

Insights into the high-sulphur aging of sintered silver nanoparticles: An experimental and ReaxFF study

In high power electronics packaging, sintered silver nanoparticle joints suffer from thermal-humidity- electrical-chemical joint driven corrosion in extreme environments. In this paper, we conducted aging tests on sintered silver nanoparticles under high-temperature, high-humidity, and high-sulphur conditions. The results show that: (1) the...

The interface adhesion of CaAlSiN₃: Eu²⁺ phosphor/silicone used in light-emitting diode packaging: A first principles study

The CaAlSiN₃:Eu²⁺ red phosphor and its silicone/phosphor composite are very promising materials used in the high color rendering white light-emitting diode (LED) packaging. However, the reliabilities of CaAlSiN₃:Eu²⁺ and its composite are still being challenged by phosphor hydrolysis at high...

Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study

A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering simulations of two halve Cu NPs were conducted at...

A stochastic process based reliability prediction method for LED driver

In this study, we present a general methodology that combines the reliability theory with physics of failure for reliability prediction of an LED driver. More specifically, an integrated LED lamp, which includes an LED light source with statistical distribution of luminous flux, and a driver with a few critical components, is considered. The...

Al(OH)3 facilitated synthesis of water-soluble, magnetic, radiolabelled and fluorescent hydroxyapatite nanoparticles

Magnetic and fluorescent hydroxyapatite nanoparticles were synthesised using Al(OH)3-stabilised MnFe2O4 or Fe3O4 nanoparticles as precursors. They were readily and efficiently radiolabelled with 18F. Bisphosphonate polyethylene glycol polymers were utilised to endow the nanoparticles with excellent colloidal stability in water and to incorporate...

Numerical simulation on the mechanical characteristics of double-stranded DNA under axial stretching and lateral unzipping

The mechanical characteristics of the long-chain double-stranded DNA (dsDNA) molecule under the axial stretching and lateral unzipping are studied by the clustered atomistic-continuum method (CACM). The CACM consisted of the clustered atom method (CAM) and the atomistic-continuum method (ACM). The CAM treats the specific atomic group as the...